5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide

C22H24N2O2S — CID 169494205

IUPAC5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide
SMILESCc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C22H24N2O2S/c1-15-6-7-20(26-10-9-23)13-21(15)22(25)24-16(2)17-4-3-5-18(12-17)19-8-11-27-14-19/h3-8,11-14,16H,9-10,23H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyOIRZOSFQGIJWJI-MRXNPFEDSA-N
MW380.51 g/mol
LogP4.55
Rot. Bonds7

About 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide

5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide (PubChem CID 169494205) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide
PubChem CID169494205
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide
SMILESCc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C22H24N2O2S/c1-15-6-7-20(26-10-9-23)13-21(15)22(25)24-16(2)17-4-3-5-18(12-17)19-8-11-27-14-19/h3-8,11-14,16H,9-10,23H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyOIRZOSFQGIJWJI-MRXNPFEDSA-N
XLogP4.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71657865
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AMTB hydrochloride
CID 16095383
N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
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N-[(2-Ethoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-YL)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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4-[(2R)-2-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}propoxy]benzamide
CID 23647085
N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146379
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
N-(3-Methoxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934039
4-butoxy-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 4920966
2-(benzylthio)-N-[2-(4-ethylphenoxy)ethyl]benzamide
CID 2296331

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide?
The IUPAC name of 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide (CID 169494205) is 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide?
The canonical SMILES for 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide is Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccsc2)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide?
The InChIKey is OIRZOSFQGIJWJI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-6-7-20(26-10-9-23)13-21(15)22(25)24-16(2)17-4-3-5-18(12-17)19-8-11-27-14-19/h3-8,11-14,16H,9-10,23H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide?
5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide has a molecular weight of 380.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-3-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 169494205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).